Abstract

The Coulomb explosion ionization process of an $\text{H}_{2}{}^{+}$ wave packet in xuv laser fields has been studied by fully three-dimensional ab initio wave packet calculations, with moving nuclei, beyond the Born-Oppenheimer approximation. Both the cases of parallel and perpendicular orientation of the molecule with respect to the laser field have been investigated. Furthermore, we have examined the applicability of the fixed-nuclei approximation method to obtain the kinetic energy distribution of the released nuclei. It is found that the approximation breaks down already at relatively short pulses. We also show that the relative orientation of the internuclear axis and polarization vector has a crucial effect on the kinetic energy spectrum.

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